4thn: Difference between revisions
New page: left|200px<br /> <applet load="4thn" size="450" color="white" frame="true" align="right" spinBox="true" caption="4thn, resolution 2.5Å" /> '''THE CRYSTAL STRUCTUR... |
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caption="4thn, resolution 2.5Å" /> | caption="4thn, resolution 2.5Å" /> | ||
'''THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE.'''<br /> | '''THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE.'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
4THN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with NAG as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http:// | 4THN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NAG:'>NAG</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4THN OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: thrombin synthetic inhibitors]] | [[Category: thrombin synthetic inhibitors]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 17:45:29 2008'' | ||
Revision as of 18:45, 15 February 2008
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THE CRYSTAL STRUCTURE OF ALPHA-THROMBIN-HIRUNORM IV COMPLEX REVEALS A NOVEL SPECIFICITY SITE RECOGNITION MODE.
OverviewOverview
The X-ray crystal structure of the human alpha-thrombin-hirunorm IV, complex has been determined at 2.5 A resolution, and refined to an, R-factor of 0.173. The structure reveals an inhibitor binding mode, distinctive of a true hirudin mimetic, which justifies the high inhibitory, potency and the selectivity of hirunorm IV. This novel inhibitor, composed, of 26 amino acids, interacts through the N-terminal end with the, alpha-thrombin active site in a nonsubstrate mode, and binds specifically, to the fibrinogen recognition exosite through the C-terminal end. The, backbone of the N-terminal tripeptide Chg1"-Arg2"-2Na13" (Chg, cyclohexyl-glycine; 2Na1, beta-(2-naphthyl)-alanine) forms a parallel, beta-strand to the thrombin main-chain segment Ser214-Gly216. The Chg1", side chain occupies the S2 site, Arg2" penetrates into the S1 specificity, site, while the 2Na13" side chain occupies the aryl binding site. The, Arg2" side chain enters the S1 specificity pocket from a position quite, apart from the canonical P1 site. This notwithstanding, the Arg2" side, chain establishes the typical ion pair with the carboxylate group of, Asp189.
DiseaseDisease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this StructureAbout this Structure
4THN is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.
ReferenceReference
The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode., Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V, Protein Sci. 1999 Jan;8(1):91-5. PMID:10210187
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